CID 5319901

Lupinisoflavone a

Structural Information

Molecular Formula

C₂₀H₁₆O₆

SMILES

CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3

InChIKey

DOGAHANJPKBCGB-UHFFFAOYSA-N

Compound name

6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1
Patents: 352.0947 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.101976	179.5
[M+Na]+	375.083918	189.7
[M-H]-	351.087424	187.1
[M+NH4]+	370.128523	192.2
[M+K]+	391.057858	186.8
[M+H-H2O]+	335.091960	173.5
[M+HCOO]-	397.092901	194.4
[M+CH3COO]-	411.108551	190.7
[M+Na-2H]-	373.069366	181.1
[M]+	352.09415142	183.0
[M]-	352.09524858	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe